Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: Synthesis, structures, photophysics and computational study

Xin-Xin JIN, Tian LI, Dong-Po SHI, Li-Juan LUO, Qian-Qian SU, Jing XIANG, Hai-Bing XU, Chi Fai LEUNG, Ming-Hua ZENG

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Abstract

A new series of luminescent phosphine copper(I) complexes with cyano- and hydroxyl-substituted 2,2ʹ-bipyridine ligands [Cu¹(bpy(CN)₂)(P(PhX)₃)₂](ClO₄) [X = H (1); Me (2); Cl (3)], [Cu¹(bpy(CN)₂)(POP)](ClO₄) (4), [Cu¹(bpy(OH)₂)(PPh₃)₂](ClO₄) (5) and [Cu¹(bpy(OH)₂)(POP)](ClO₄) (6) have been synthesized and characterized. Three of these complexes have been structurally characterized by using X-ray crystallography. The effect of the attaching –CN and –OH groups at the ortho-positions of bpy ligand was investigated. In CH₂Cl₂ solution, these complexes show yellow to orange phosphorescence, with the emission maxima not only sensitive to the electronic nature of the bipyridine ligands, but also considerably varied with the modification of phosphine ligands. In addition, these complexes show intense tunable green to yellow emissions in their solid state. To elucidate the electronic structures and transitions of these complexes, density functional theory (DFT) calculations on representative examples revealed that the lowest energy electronic transition associated with these complexes predominantly originates from metal-to-ligand charge transfer transitions (MLCT). Copyright © 2020 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
Original languageEnglish
Pages (from-to)13393-13400
JournalNew Journal of Chemistry
Volume44
Issue number31
Early online date22 Jul 2020
DOIs
Publication statusPublished - 21 Aug 2020

Citation

Jin, X.-X., Li, T., Shi, D.-P., Luo, L.-J., Su, Q.-Q., Xiang, J., . . . Zeng, M.-H. (2020). Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: Synthesis, structures, photophysics and computational study. New Journal of Chemistry, 44(31), 13393-13400. doi: 10.1039/C9NJ05887G

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